Glycoside
GD004650
Name:
Paeonin BFormula:
C23H28O11Smiles:
CC12C[C@]3(O)OC(O1)C1(COC(=O)c4ccccc4)[C@H]3CC21O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00766
Formula: C17H18O6
Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
